5CGZ
Crystal structure of GalB, the 4-carboxy-2-hydroxymuconate hydratase, from Pseuodomonas putida KT2440
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 201.660, 201.660, 201.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.910 - 2.103 |
R-factor | 0.1512 |
Rwork | 0.150 |
R-free | 0.17010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.910 | 2.150 | |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.083 | 0.027 | 1.043 |
Rmeas | 0.089 | 0.030 | 1.117 |
Total number of observations | 638484 | ||
Number of reflections | 81108 | 1057 | 5899 |
<I/σ(I)> | 17.88 | 53.59 | 2.23 |
Completeness [%] | 99.8 | 97.8 | 100 |
CC(1/2) | 0.999 | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 25% Glycerol |